methyl 11-pyridin-4-ylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-pyridin-4-ylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-(4-pyridylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(pyridin-4-ylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-pyridin-4-ylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(4-pyridylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SC4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SC4=CC=NC=C4

InChI

InChI=1S/C21H17NO3S/c1-24-21(23)14-6-7-19-18(12-14)20(26-16-8-10-22-11-9-16)17-5-3-2-4-15(17)13-25-19/h2-12,20H,13H2,1H3